tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate

C17H33N3O3 — CID 66842084

IUPACtert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCN2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C17H33N3O3/c1-17(2,3)23-16(22)18-14-6-9-19(10-7-14)11-12-20-8-4-5-15(21)13-20/h14-15,21H,4-13H2,1-3H3,(H,18,22)/t15-/m1/s1
InChIKeyFEROBCGNHAPRGA-OAHLLOKOSA-N
MW327.47 g/mol
LogP1.43
Rot. Bonds4

About tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate (PubChem CID 66842084) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate
PubChem CID66842084
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Nametert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCN2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C17H33N3O3/c1-17(2,3)23-16(22)18-14-6-9-19(10-7-14)11-12-20-8-4-5-15(21)13-20/h14-15,21H,4-13H2,1-3H3,(H,18,22)/t15-/m1/s1
InChIKeyFEROBCGNHAPRGA-OAHLLOKOSA-N
XLogP1.43
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate (CID 66842084) is tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCN2CCC[C@@H](O)C2)CC1.
What is the InChIKey of tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate?
The InChIKey is FEROBCGNHAPRGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-17(2,3)23-16(22)18-14-6-9-19(10-7-14)11-12-20-8-4-5-15(21)13-20/h14-15,21H,4-13H2,1-3H3,(H,18,22)/t15-/m1/s1.
What are the key properties of tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate has a molecular weight of 327.47 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66842084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).